Geometry & MOs

Info

ID:	154735
PubChem CID:	56314250
Reduced:	O2F3N4C22H25 (1)
Stoich.:	A2B3C4D22E25 (1)
Weight, g/mol:	481.124232
ΔH_f, kcal/mol:	-176.75
Dipole, Da:	3.46
IP(EA), eV:	-8.05(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(3-cyanopyridin-2-yl)-1,4-diazepane-1-carbonyl]-N-(4-methylphenyl)thiophene-3-sulfonamide

Drug info:

PubChemData

Smile

CC(C)N1C(=C(C=N1)C(=O)N2CCC(CC2)C3=CNC4=C3C=C(C=C4)OC)C(F)(F)F

DOS

IR

Vibrations